N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C58H43NO — CID 167253427

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167253427) has the molecular formula C58H43NO and a molecular weight of 769.99 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

• Compound Name: N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
• PubChem CID: 167253427
• Molecular Formula: C58H43NO
• Molecular Weight: 769.99 g/mol
• Exact Mass: 769.33
• IUPAC Name: N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
• SMILES: C1=CC(c2ccc(N(c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3oc3c5ccccc5c(-c5ccccc5)cc43)C3C=CC(c4ccccc4)=CC3)cc2)=CCC1
• InChI: InChI=1S/C58H43NO/c1-5-15-40(16-6-1)43-25-27-46(28-26-43)48-37-54-55-39-53(47-21-11-4-12-22-47)51-23-13-14-24-52(51)57(55)60-58(54)56(38-48)59(49-33-29-44(30-34-49)41-17-7-2-8-18-41)50-35-31-45(32-36-50)42-19-9-3-10-20-42/h1-2,4-9,11-33,35-39,49H,3,10,34H2
• InChIKey: PDDJTDPKILYCRM-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.99
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?

The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167253427) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?

The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is C1=CC(c2ccc(N(c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3oc3c5ccccc5c(-c5ccccc5)cc43)C3C=CC(c4ccccc4)=CC3)cc2)=CCC1.

What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?

The InChIKey is PDDJTDPKILYCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NO/c1-5-15-40(16-6-1)43-25-27-46(28-26-43)48-37-54-55-39-53(47-21-11-4-12-22-47)51-23-13-14-24-52(51)57(55)60-58(54)56(38-48)59(49-33-29-44(30-34-49)41-17-7-2-8-18-41)50-35-31-45(32-36-50)42-19-9-3-10-20-42/h1-2,4-9,11-33,35-39,49H,3,10,34H2.

What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 769.99 g/mol, XLogP of 16.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167253427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).